N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide

C19H26N2O3 — CID 111432990

IUPACN-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCCC(CO)NC(=O)Cc1ccc(NC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-2-16(13-22)20-18(23)12-14-8-10-17(11-9-14)21-19(24)15-6-4-3-5-7-15/h3-4,8-11,15-16,22H,2,5-7,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyFAMRFYJLZIOQRZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.41
Rot. Bonds7

About N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide

N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 111432990) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID111432990
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCCC(CO)NC(=O)Cc1ccc(NC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-2-16(13-22)20-18(23)12-14-8-10-17(11-9-14)21-19(24)15-6-4-3-5-7-15/h3-4,8-11,15-16,22H,2,5-7,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyFAMRFYJLZIOQRZ-UHFFFAOYSA-N
XLogP2.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
3-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 120541217
(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 25498236
N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide
CID 110025985
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 46485862
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide (CID 111432990) is N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide is CCC(CO)NC(=O)Cc1ccc(NC(=O)C2CC=CCC2)cc1.
What is the InChIKey of N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is FAMRFYJLZIOQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-16(13-22)20-18(23)12-14-8-10-17(11-9-14)21-19(24)15-6-4-3-5-7-15/h3-4,8-11,15-16,22H,2,5-7,12-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide?
N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 111432990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).